@MOLECULE palominol 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6296 -1.8727 -0.6686 O.3 1 UNL1111111111 -0.5872 2 C -0.0778 1.7850 1.1034 C.3 1 UNL1111111111 0.0971 3 C -0.4591 0.3101 0.7072 C.3 1 UNL1111111111 -0.1464 4 C -1.3666 2.6209 0.8085 C.3 1 UNL1111111111 -0.3002 5 C -1.7685 0.4561 -0.0304 C.2 1 UNL1111111111 -0.0991 6 C -0.5721 -0.7109 1.8466 C.3 1 UNL1111111111 -0.2705 7 C 1.1033 2.3046 0.2321 C.3 1 UNL1111111111 -0.3021 8 C -2.2620 1.6992 0.0412 C.2 1 UNL1111111111 -0.1815 9 C 0.3185 1.9591 2.5705 C.3 1 UNL1111111111 -0.4654 10 C -2.3637 -0.6701 -0.8225 C.3 1 UNL1111111111 0.3457 11 C 0.7582 -1.4418 2.1159 C.3 1 UNL1111111111 -0.2886 12 C 1.0551 1.7578 -1.1551 C.2 1 UNL1111111111 -0.2104 13 C -2.3544 -0.3140 -2.3187 C.3 1 UNL1111111111 -0.4974 14 C -3.7641 -1.0366 -0.3195 C.3 1 UNL1111111111 -0.4621 15 C 1.2569 -2.1604 0.8954 C.2 1 UNL1111111111 0.0254 16 C 1.9222 0.8821 -1.6824 C.2 1 UNL1111111111 0.0190 17 C 3.1753 0.3830 -1.0236 C.3 1 UNL1111111111 -0.2781 18 C 2.2050 -1.6876 0.0733 C.2 1 UNL1111111111 -0.2260 19 C 2.9505 -0.4104 0.2768 C.3 1 UNL1111111111 -0.2662 20 C 0.6178 -3.4882 0.6444 C.3 1 UNL1111111111 -0.4644 21 C 1.6934 0.3400 -3.0597 C.3 1 UNL1111111111 -0.4542 22 H 0.3096 -0.0794 -0.0088 H 1 UNL1111111111 0.1725 23 H -1.1377 3.5342 0.2353 H 1 UNL1111111111 0.1457 24 H -1.8511 2.9584 1.7409 H 1 UNL1111111111 0.1473 25 H -1.3477 -1.4641 1.5858 H 1 UNL1111111111 0.1641 26 H -0.9375 -0.2354 2.7726 H 1 UNL1111111111 0.1402 27 H 2.0644 2.0606 0.7256 H 1 UNL1111111111 0.1459 28 H 1.0789 3.4127 0.2025 H 1 UNL1111111111 0.1446 29 H -3.1748 2.0665 -0.3883 H 1 UNL1111111111 0.1450 30 H 1.1697 1.3238 2.8384 H 1 UNL1111111111 0.1460 31 H 0.6006 2.9968 2.7817 H 1 UNL1111111111 0.1436 32 H -0.5061 1.7032 3.2461 H 1 UNL1111111111 0.1495 33 H 0.6120 -2.1637 2.9457 H 1 UNL1111111111 0.1460 34 H 1.5109 -0.7210 2.4903 H 1 UNL1111111111 0.1423 35 H 0.1872 2.0951 -1.7238 H 1 UNL1111111111 0.1507 36 H -1.3485 -0.0302 -2.6476 H 1 UNL1111111111 0.1511 37 H -2.6685 -1.1769 -2.9172 H 1 UNL1111111111 0.1614 38 H -3.0268 0.5196 -2.5370 H 1 UNL1111111111 0.1526 39 H -4.4698 -0.2154 -0.4667 H 1 UNL1111111111 0.1479 40 H -3.7380 -1.2813 0.7495 H 1 UNL1111111111 0.1569 41 H -4.1415 -1.9229 -0.8442 H 1 UNL1111111111 0.1599 42 H -0.6705 -1.7303 -0.8090 H 1 UNL1111111111 0.3293 43 H 3.7586 -0.2465 -1.7268 H 1 UNL1111111111 0.1444 44 H 3.8312 1.2529 -0.8020 H 1 UNL1111111111 0.1444 45 H 2.5132 -2.2479 -0.8077 H 1 UNL1111111111 0.1473 46 H 2.4400 0.2381 1.0193 H 1 UNL1111111111 0.1532 47 H 3.9400 -0.6468 0.7269 H 1 UNL1111111111 0.1427 48 H -0.4807 -3.4346 0.7358 H 1 UNL1111111111 0.1757 49 H 0.9638 -4.2331 1.3746 H 1 UNL1111111111 0.1553 50 H 0.8334 -3.8876 -0.3541 H 1 UNL1111111111 0.1491 51 H 0.7955 0.7526 -3.5370 H 1 UNL1111111111 0.1487 52 H 1.5730 -0.7529 -3.0300 H 1 UNL1111111111 0.1560 53 H 2.5400 0.5610 -3.7238 H 1 UNL1111111111 0.1536 @BOND 1 1 10 1 2 1 42 1 3 2 3 1 4 2 4 1 5 2 7 1 6 2 9 1 7 3 5 1 8 3 6 1 9 3 22 1 10 4 8 1 11 4 23 1 12 4 24 1 13 5 8 2 14 5 10 1 15 6 11 1 16 6 25 1 17 6 26 1 18 7 12 1 19 7 27 1 20 7 28 1 21 8 29 1 22 9 30 1 23 9 31 1 24 9 32 1 25 10 13 1 26 10 14 1 27 11 15 1 28 11 33 1 29 11 34 1 30 12 16 2 31 12 35 1 32 13 36 1 33 13 37 1 34 13 38 1 35 14 39 1 36 14 40 1 37 14 41 1 38 15 18 2 39 15 20 1 40 16 17 1 41 16 21 1 42 17 19 1 43 17 43 1 44 17 44 1 45 18 19 1 46 18 45 1 47 19 46 1 48 19 47 1 49 20 48 1 50 20 49 1 51 20 50 1 52 21 51 1 53 21 52 1 54 21 53 1